SCHEMBL4473363

SCHEMBL4473363

Cc1c(C)c2c(c(C)c1O)CC(CSCC(=O)O)C1(CCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 4/20 0.35
NR1I2 O75469 1/20 0.34
CAPN1 P07384 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
GSTP1 P09211 1/20 0.30
TTPA P49638 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13756677 0.89 PTGS1 (0.37) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13762912 0.82 PTGS1 (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4463058 0.79 CYP3A4 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4467446 0.72 CYP3A4 (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4278705 0.70 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4274823 0.69 PTGS1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4283972 0.69 PTGS1 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4477092 0.65 KDM4E (0.31)
SCHEMBL8309052 0.64 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23618137 0.62 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP claimed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO claimed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US claimed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 PTGS1 24/4885PTGS2 34/4885CYP1A2 136/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.